Chemical Physics Letters, 2002, V 355, N 3-4, 2 April.

Oscar N. Ventura, Martina Kieninger, P.A. Denis and Rau'l E. Cachau
Density functional computational thermochemistry: solving the discrepancy 
between MO and DFT calculations on the enthalpy of formation of sulfine, CH2=S=O 
207-213

Martin Chambers, Monika Voigt and Martin Grell
Resonance-regime behaviour of a Fo"rster-transfer fluorescent dye couple 
dissolved in a chiral nematic liquid crystal 
214-218

Y. Honda et al.
Relativistic effects on magnetic circular dichroism studied by GUHF/SECI method 
219-225

Nikos Tagmatarchis, Atsushi Taninaka and Hisanori Shinohara
Production and EPR characterization of exohedrally perfluoroalkylated 
paramagnetic lanthanum metallofullerenes: (La@C82)-(C8F17)2 
226-232

Hua-Qing Yang et al.
Methane activation by naked Ni0 atom: a theoretical study 
233-240

Takakazu Nakabayashi, Satoshi Kamo, Kazuo Watanabe, Hirochika Sakuragi and 
Nobuyuki Nishi
Observation of formation dynamics of solvated aromatic cation radicals
following photoionization 
241-248

Edet F. Archibong and Alain St-Amant
Electron detachment energies of AlAs [-] and AlAs2 [-] 
249-256

Teerakiat Kerdcharoen and Keiji Morokuma
ONIOM-XS: an extension of the ONIOM method for molecular simulation in
condensed phase 
257-262

A. Beste, K. Runge and R. Bartlett
Ensuring N-representability: Coleman's algorithm 
263-269

Yu Chen and Michael R. Topp
Excited state interactions in the doubly hydrogen-bonded jet-cooled dimers of 4-
aminophthalimide and 4-amino-N-methylphthalimide 
270-278

Y.A. Kim et al.
Effect of ball milling on morphology of cup-stacked carbon nanotubes 
279-284

Dacheng Feng, Congmin Kang, Chuansong Qi and Zhengting Cai
An ab initio study of the potential energy surfaces for Na+I2 system 
285-288

S.E. Grillo, H. Tang, C. Coudret and S. Gauthier
STM observation of the dissociation of a chromium tris-diketonato complex on 
Cu(100) 
289-293

Yu-Xiang Weng et al.
Interfacial charge recombination via the triplet state? Mimicry of 
photoprotection in the photosynthetic process with a dye-sensitized TiO2 solar 
cell reaction 
294-300

W.B. Wang, M.S. Zei and G. Ertl
Electrooxidation of CO on Ru(0001) and RuO2(100) electrode surfaces 
301-305

D.R. Bowler and M.J. Gillan
An embedding scheme based on quantum linear-scaling methods 
306-310

Masakazu Yamazaki, Satoshi Maeda, Naoki Kishimoto and Koichi Ohno
Classical trajectory calculations of collision energy dependence of Penning 
ionization cross-sections for N2 and CO by He*23S; optimization of anisotropic 
model potentials 
311-318

V. [\mbox{\v{S}}] pirko, A. [\mbox{\v{C}}] ejchan, R. Lutchyn and J. Leszczynski
Dimensionality of proton transfer in the intramolecular hydrogen bond of 
formimidol 
319-326

Magdalena Pecul and Sonia Coriani
The effect of triple excitations in coupled cluster calculations of Raman 
scattering cross-sections 
327-338

Luis C. Pardo et al.
Stable and metastable mixed crystals in the orientationally disordered state of 
the [(CH3)3CCl]+[(CH3)2CCl2] system 
339-346

W.A. Hofer, A.J. Fisher, T. Bitzer, T. Rada and N.V. Richardson
Tuning in on single molecular states: adsorption sites and STM images of maleic 
anhydride on Si(100) 
347-354

Patrick Weis, Thomas Bierweiler, Stefan Gilb and Manfred M. Kappes
Structures of small silver cluster cations (Agn+, n<12): ion mobility 
measurements versus density functional and MP2 calculations 
355-364

Xin Lu, Xin Xu, Nanqin Wang, Qianer Zhang and M.C. Lin
High charge flexibility of the surface dangling bonds on the Si(111)-7?7 surface 
and NH3 chemisorption: a DFT study 
365-370

Abneesh Srivastava and Richard M. Osgood Jr.
Photoreaction dynamics of CH3I multilayers on GaAs(110): REMPI probing of the 
CH3 umbrella mode 
371-377

Ivan Gutman, Dusica Vidovic and Boris Furtula
Coulson function and Hosoya index 
378-382

Sudhir Kapoor, Dipak K. Palit and Tulsi Mukherjee
Preparation, characterization and surface modification of Cu metal nanoparticles 
383-387

Erratum
Cristo'bal Alhambra, Maria Luz Sa'nchez, Jose' C. Corchado, Jiali Gao and Donald G. Truhlar
Erratum to: "Quantum mechanical tunneling in methylamine dehydrogenase" 
[Chem. Phys. Lett. 347 (2001) 512-518] 388-394